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RXTWNNVZTQGTGF-WAAGHKOSSA-N
SpectraBase Compound ID 48s4pgNGbsN
InChI InChI=1S/C10H14O3/c1-9(2)8-6(11)4-10(3,13-9)5-7(8)12/h8H,4-5H2,1-3H3/t8-,10+
InChIKey RXTWNNVZTQGTGF-WAAGHKOSSA-N
Mol Weight 182.22 g/mol
Molecular Formula C10H14O3
Exact Mass 182.094294 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 633vrR7gKQB
Name 1,3,3-Trimethyl-2-oxabicyclo[2.2.2]octane-5,8-dione
CAS Registry Number 81781-21-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H14O3
InChI InChI=1S/C10H14O3/c1-9(2)8-6(11)4-10(3,13-9)5-7(8)12/h8H,4-5H2,1-3H3/t8-,10+
InChIKey RXTWNNVZTQGTGF-WAAGHKOSSA-N
Molecular Weight 182.219 g/mol
SMILES C1C([C@]2(C(C)(C)O[C@@]1(CC2=O)C)[H])=O
SPLASH splash10-001i-9300000000-0dc452e8f209517754c2
Source of Spectrum J-52-1509-13
Synonyms 2,2,4-trimethyl-3-oxabicyclo[2.2.2]octane-6,7-dione 2,2,4-trimethyl-3-oxabicyclo[2.2.2]octane-6,7-quinone
Wiley ID 1178438